SCHEMBL9836656

SCHEMBL9836656

CCOc1c(C(=O)O)cnc2c1cnn2CC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.53
PDE5A O76074 2/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE10A Q9Y233 1/20 0.45
NR3C1 P04150 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11746149 0.99 PDE4B (0.52) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL11746143 0.88 PDE4B (0.51) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL11531729 0.88 PDE4B (0.53) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL2772405 0.86 PDE4B (0.65) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL14115711 0.81 PDE4B (0.52) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL7009102 0.81 PDE4B (0.49) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL7958253 0.81 PDE4B (0.49) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL582299 0.80 NR3C1 (0.61) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL8285844 0.80 PDE4B (0.48) PDE4B
Hydrochloric Acid SCHEMBL7008243 0.79 NR3C1 (0.60) PDE4BPDE5AMEN1MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180318-B1 AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-11-06 EP disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
EP-0180318-A1 Amide derivatives ICI AMERICAS INC. (US) 1986-05-07 EP disclosed
US-4012373-A ANTIINFLAMMATORY, CNS DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1977-03-15 US disclosed